CID 155943536

[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C7H12F2O2
SMILES
COCC1(CC(C1)(F)F)CO
InChI
InChI=1S/C7H12F2O2/c1-11-5-6(4-10)2-7(8,9)3-6/h10H,2-5H2,1H3
InChIKey
RXIIJWRNAPERPK-UHFFFAOYSA-N
Compound name
[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.08054 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08782 132.6
[M+Na]+ 189.06976 140.0
[M-H]- 165.07326 133.0
[M+NH4]+ 184.11436 150.2
[M+K]+ 205.04370 141.7
[M+H-H2O]+ 149.07780 124.0
[M+HCOO]- 211.07874 151.3
[M+CH3COO]- 225.09439 179.0
[M+Na-2H]- 187.05521 138.8
[M]+ 166.07999 139.7
[M]- 166.08109 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe